N-(2-amino-6-fluorophenyl)-4-ethylbenzamide

C15H15FN2O — CID 81313700

IUPACN-(2-amino-6-fluorophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(N)cccc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-2-10-6-8-11(9-7-10)15(19)18-14-12(16)4-3-5-13(14)17/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyJSVFRPCLKPIGEY-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.22
Rot. Bonds3

About N-(2-amino-6-fluorophenyl)-4-ethylbenzamide

N-(2-amino-6-fluorophenyl)-4-ethylbenzamide (PubChem CID 81313700) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-4-ethylbenzamide
PubChem CID81313700
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(2-amino-6-fluorophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(N)cccc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-2-10-6-8-11(9-7-10)15(19)18-14-12(16)4-3-5-13(14)17/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyJSVFRPCLKPIGEY-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-6-fluorophenyl)-4-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(2-amino-6-fluorophenyl)-2-methylbutanamide
CID 81314159
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
2-N-[2-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
CID 102852150
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-4-ethylbenzamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-4-ethylbenzamide (CID 81313700) is N-(2-amino-6-fluorophenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2c(N)cccc2F)cc1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-4-ethylbenzamide?
The InChIKey is JSVFRPCLKPIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-2-10-6-8-11(9-7-10)15(19)18-14-12(16)4-3-5-13(14)17/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-fluorophenyl)-4-ethylbenzamide?
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-4-ethylbenzamide is sourced from PubChem (CID 81313700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).